SCHEMBL8537665

SCHEMBL8537665

N[C@H]1N=C(c2ccccc2F)c2ccccc2N(Cc2ncccc2C(=O)N2CCCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCKBR P32239 9/20 0.38
CCKAR P32238 7/20 0.38
HPGD P15428 1/20 0.37
PARP1 P09874 1/20 0.37
AKT1 P31749 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8773977 1.00 PRMT5 (0.39) PRMT5WDR77ALDH1A1KDM4EL3MBTL1
SCHEMBL8775246 0.87 CCKBR (0.41) CCKBRCCKAR
SCHEMBL8537754 0.87 CCKBR (0.41) CCKBRCCKAR
SCHEMBL8535409 0.86 CCKBR (0.42) CCKBRCCKAR
SCHEMBL8535401 0.86 CCKBR (0.42) CCKBRCCKAR
SCHEMBL8537391 0.84 CCKBR (0.43) CCKBRCCKAR
SCHEMBL8537384 0.84 CCKBR (0.43) CCKBRCCKAR
SCHEMBL9573650 0.82 ALDH1A1 (0.52) ALDH1A1CCKBRCCKAR
SCHEMBL8773986 0.82 CCKBR (0.48) CCKBRCCKAR
SCHEMBL8535348 0.81 TP53 (0.42) CCKBRCCKAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed